SCHEMBL8287451

SCHEMBL8287451

Cc1nc2c(cc1Nc1ccccc1)c(=O)cc(Nc1ccccc1)n2-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE11A Q9HCR9 1/20 0.42
MAPK1 P28482 3/20 0.40
GAA P10253 3/20 0.40
HPGD P15428 2/20 0.40
GSK3B P49841 3/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
CCND2 P30279 1/20 0.38
CCND3 P30281 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
ATM Q13315 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TSHR P16473 3/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5871894 0.89 PDE11A (0.43) PDE11AMAPK1GAAHPGDGSK3B
SCHEMBL8362865 0.89 MAT2A (0.41) PDE11AMAPK1GAAHPGDGSK3B
SCHEMBL8287426 0.88 CYP3A4 (0.42) PDE11AMAPK1KDM4EALDH1A1LMNA
SCHEMBL8287487 0.87 PDE11A (0.38) PDE11AMAPK1GAAHPGDGSK3B
SCHEMBL5872009 0.87 PDE11A (0.44) PDE11AMAPK1GAAHPGDGSK3B
SCHEMBL5871540 0.87 PDE11A (0.42) PDE11AMAPK1GAAHPGDGSK3B
SCHEMBL8287456 0.87 PDE11A (0.42) PDE11AMAPK1GAAHPGDGSK3B
SCHEMBL8361773 0.87 PDE11A (0.44) PDE11AMAPK1GAAHPGDGSK3B
SCHEMBL8287433 0.86 RAB9A (0.38) PDE11AMAPK1GAAHPGDGSK3B
SCHEMBL8285235 0.86 PDE11A (0.41) PDE11AMAPK1GAAHPGDGSK3B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005091857-A2 1,6-NAPHTHYRIDINE AND 1,8-NAPHTHYRIDINE DERIVATIVES AND THEIR USE TO TREAT DIABETES AND RELATED DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2005-10-06 WO disclosed
WO-2003027112-A1 1, 8-NAPHTHYRIDINE DERIVATIVES AS ANTIDIABETICS BAYER PHARMACEUTICALS CORPORATION (US) 2003-04-03 WO disclosed